Glycoside
GD001805
Name:
NoneFormula:
C23H28O12Smiles:
OC[C@@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@H](OC=Cc4ccc(O)c(O)c4)[C@@H]4O[C@@]4(CO)[C@H]23)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCC12OC1C(OC=Cc1ccc(O)c(O)c1)C1C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 191.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD01768
Formula: C17H18O7
Smiles:
OCC12OC1C(OC=Cc1ccc(O)c(O)c1)C1C=COC(O)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 111.91 | NumAromaticRings: | 1 |
